Zn(AgH3)2
Alexandria ALEXAlex-ID: agm097616984 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6243_spg1
ZnAg2 H2
2025-04-29 17:55:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097616984).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm097616984
data_agm097616984
_cell_length_a 3.59461
_cell_length_b 3.39146
_cell_length_c 8.61096
_cell_angle_alpha 79.04618
_cell_angle_beta 78.05276
_cell_angle_gamma 90.07804
_cell_volume 100.74030
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1 Zn 0.38854 0.44383 0.25267 1.00000
Ag1 Ag 0.02247 0.57686 0.98287 1.00000
Ag2 Ag 0.17846 0.23379 0.66929 1.00000
H1 H 0.51727 0.56999 0.99322 1.00000
H2 H 0.28453 0.34512 0.45613 1.00000
H3 H 0.91557 0.47045 0.19848 1.00000
H4 H 0.12896 0.68610 0.76842 1.00000
H5 H 0.38136 0.93610 0.26846 1.00000
H6 H 0.68286 0.23776 0.66045 1.00000
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